2-butyl-1-tert-butyl-3-methyl-cyclobuta-1,3-diene; carbon monoxide; iron

Systemtic Name: 2-butyl-1-tert-butyl-3-methyl-cyclobuta-1,3-diene; carbon monoxide; iron Openeye Name: 2-butyl-1-tert-butyl-3-methyl-cyclobuta-1,3-diene; carbon monoxide; iron CAS Name: 2-butyl-1-tert-butyl-3-methylcyclobuta-1,3-diene; carbon monoxide; iron IUPAC Name: 2-butyl-1-tert-butyl-3-methylcyclobuta-1,3-diene; carbon monoxide; iron Traditional Name: 2-butyl-1-tert-butyl-3-methyl-cyclobuta-1,3-diene; carbon monoxide; iron Formula: C16H22FeO3 MolecularWeight: 318.18908

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=C1C)C(C)(C)C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]

Isomeric SMILES

CCCCC1=C(C=C1C)C(C)(C)C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]

InChI

InChI=1S/C13H22.3CO.Fe/c1-6-7-8-11-10(2)9-12(11)13(3,4)5;3*1-2;/h9H,6-8H2,1-5H3;;;;